SCHEMBL10104524

SCHEMBL10104524

Cc1cc(CN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
LSS P48449 1/20 0.39
IDO1 P14902 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
GRIN2B Q13224 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NOS3 P29474 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL13451382 0.88 TACR1 (0.49) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL12426566 0.81 HRH3 (0.38) TACR1ALDH1A1IDO1NOS1NOS2
SCHEMBL10169147 0.81 NOS1 (0.44) TACR1NOS1NOS2RAPGEF4NOS3
SCHEMBL14570493 0.81 IDO1 (0.43) TACR1IDO1NOS1NOS2RAPGEF4
SCHEMBL15078647 0.81 TACR1 (0.41) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL15077170 0.81 CYP2C19 (0.47) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL16767879 0.79 GRIN2B (0.44) IDO1NOS1NOS2RAPGEF4GRIN2B
SCHEMBL12305670 0.79 ALDH1A1 (0.46) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL788092 0.79 TACR1 (0.40) TACR1ALDH1A1LMNAGAATSHR
SCHEMBL345830 0.79 SLC6A4 (0.43) TACR1ALDH1A1LMNAGAATSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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 (2 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TACR1 1434/4885ALDH1A1 175/4885LMNA 993/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 TACR1 2289/4885ALDH1A1 860/4885LMNA 180/4885

“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.