SCHEMBL974864

SCHEMBL974864

COc1ccc(NC2=NN(c3ccccc3)CC2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 7/20 0.43
MAPK1 P28482 4/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 7/20 0.43
KMT2A Q03164 4/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
KDM1A O60341 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CHRNB4 P30926 2/20 0.41

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
SCHEMBL11091577 0.75 ABL1 (0.42) MAPTMAPK1HSD17B10RAB9AKMT2A
SCHEMBL10370490 0.73 RAB9A (0.49) ABCB11HDAC6MAPTMAPK1ALOX12
SCHEMBL10370533 0.71 ABCB11 (0.47) ABCB11HDAC6MAPTMAPK1ALOX12
SCHEMBL10371186 0.71 ABCB11 (0.47) ABCB11HDAC6MAPTMAPK1ALOX12
SCHEMBL10656731 0.70 ABL1 (0.66) MAPTMAPK1HSD17B10RAB9AKMT2A
SCHEMBL10418606 0.68 MEN1 (0.54) ABCB11HDAC6MAPTMAPK1RAB9A
SCHEMBL10418599 0.68 NPC1 (0.46) ABCB11HDAC6MAPTMAPK1ALOX12
SCHEMBL9479393 0.67 RAB9A (0.81) MAPTMAPK1ALOX12HSD17B10RAB9A
SCHEMBL316390 0.67 RAB9A (0.81) MAPTMAPK1ALOX12HSD17B10RAB9A
SCHEMBL9555351 0.67 MEN1 (0.56) ABCB11HDAC6MAPTMAPK1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127371-B1 1,N-DIARYL-4,5-DIHYDRO-1H-PYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR PREPARATION FISONS plc (GB) 1990-11-22 EP claimed
US-4956378-A 4,5-dihydro pyrazole compounds FISONS PLC (GB) 1990-09-11 US claimed
EP-0127371-A2 1,N-diaryl-4,5-dihydro-1H-pyrazol-3-amines, compositions containing them and methods for their preparation FISONS plc (GB) 1984-12-05 EP claimed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO disclosed
US-4956378-A 4,5-dihydro pyrazole compounds FISONS PLC (GB) 1990-09-11 US disclosed
EP-0178035-B1 ANTI-INFLAMMATORY 1,N-DIARYLPYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1990-01-03 EP disclosed
US-4824859-A Pyrazoline compounds compositions and use FISONS PLC. (GB) 1989-04-25 US disclosed
US-4810719-A Anti-inflammator 1,n-diarylpyrazol-3-amines FISONS PLC (GB) 1989-03-07 US disclosed
EP-0127371-A2 1,N-diaryl-4,5-dihydro-1H-pyrazol-3-amines, compositions containing them and methods for their preparation FISONS plc (GB) 1984-12-05 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 (1 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 ABCB11 3731/4885HDAC6 1874/4885MAPT 2290/4885

“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.