SCHEMBL4414765

SCHEMBL4414765

CC(C)(C)c1nnnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
P2RX7 Q99572 4/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SLC9A1 P19634 1/20 0.45
GRM2 Q14416 1/20 0.45
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
RAB9A P51151 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
IDO1 P14902 1/20 0.42
POLB P06746 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4409103 0.84 LMNA (0.54) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL4405417 0.83 LMNA (0.53) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL4405642 0.81 LMNA (0.51) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL19726570 0.81 ALDH1A1 (0.51) LMNAALDH1A1TSHRPOLB
SCHEMBL4413433 0.80 LMNA (0.50) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL12775404 0.80 CYP19A1 (0.44) ALDH1A1
SCHEMBL31272057 0.80 POLB (0.42) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL12775417 0.79 CMA1 (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL4407828 0.78 ALDH1A1 (0.58) LMNAP2RX7ALDH1A1KMT2AMEN1
SCHEMBL3035928 0.77 LMNA (0.62) LMNAP2RX7ALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885P2RX7 698/4885ALDH1A1 4707/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4121/4885P2RX7 1585/4885ALDH1A1 4677/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885P2RX7 1388/4885ALDH1A1 4769/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 LMNA 4181/4885P2RX7 775/4885ALDH1A1 3173/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 LMNA 3860/4885P2RX7 727/4885ALDH1A1 4596/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 LMNA 4433/4885P2RX7 2790/4885ALDH1A1 2111/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885P2RX7 1388/4885ALDH1A1 4769/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885P2RX7 698/4885ALDH1A1 4707/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885P2RX7 698/4885ALDH1A1 4707/4885
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF CACNA1B, CACNG3, CACNA1C LMNA 2245/4885P2RX7 427/4885ALDH1A1 3348/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4121/4885P2RX7 1585/4885ALDH1A1 4677/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 LMNA 4181/4885P2RX7 775/4885ALDH1A1 3173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.