SCHEMBL1846752

SCHEMBL1846752

COc1cccc(NC(=O)Nc2cccc(-c3n[nH]cc3-c3ccncc3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
DYRK1A Q13627 1/20 0.60
RAF1 P04049 1/20 0.57
MAPT P10636 3/20 0.55
GAA P10253 3/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
RIPK1 Q13546 1/20 0.54
KDR P35968 3/20 0.53
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
CNR1 P21554 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GRM4 Q14833 1/20 0.49
BRAF P15056 3/20 0.49
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL1851325 0.93 RAF1 (0.56) ALDH1A1DYRK1ARAF1MAPTGAA
SCHEMBL1850342 0.89 RAF1 (0.52) ALDH1A1DYRK1ARAF1HTTRIPK1
SCHEMBL1847629 0.89 CNR1 (0.55) ALDH1A1MAPTSMN1; SMN2RIPK1KDR
SCHEMBL1849459 0.89 SMN1; SMN2 (0.60) ALDH1A1DYRK1AMAPTSMN1; SMN2LMNA
SCHEMBL1849589 0.89 DYRK3 (0.57) ALDH1A1DYRK1AGAASMN1; SMN2TSHR
SCHEMBL1847141 0.89 ROCK2 (0.63) ALDH1A1DYRK1AMAPTGAAHTT
SCHEMBL1850211 0.87 SMN1; SMN2 (0.60) DYRK1AGAASMN1; SMN2RIPK1KDR
SCHEMBL1851742 0.87 CNR1 (0.47) ALDH1A1DYRK1AMAPTGAAHTT
SCHEMBL1849780 0.86 CYP3A4 (0.51) ALDH1A1MAPTCNR1RAB9AMEN1
SCHEMBL1847495 0.86 RAF1 (0.56) ALDH1A1DYRK1ARAF1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-8946250-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-03 US disclosed
US-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-02 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 EP disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 WO disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 WO 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-20140005150-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 ALDH1A1 2810/4885DYRK1A 361/4885RAF1 143/4885
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 ALDH1A1 2810/4885DYRK1A 361/4885RAF1 143/4885

“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.