SCHEMBL6070548

SCHEMBL6070548

C/C(=N\C(=O)c1ccc(Cl)cc1Cl)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FSCN1 Q16658 1/20 0.46
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRB2 P47870 3/20 0.42
POLB P06746 3/20 0.42
THRB P10828 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
SCHEMBL6070552 1.00 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6070278 0.77 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6070272 0.77 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL9653150 0.75 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL9507861 0.75 SMN1; SMN2 (0.53) ALDH1A1MAPTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL8393886 0.75 SMN1; SMN2 (0.53) ALDH1A1MAPTTSHRCASP1SMN1; SMN2
SCHEMBL29384783 0.73 TSHR (0.65) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL322161 0.73 TSHR (0.65) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL13092377 0.72 SMN1; SMN2 (0.59) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL4667244 0.71 CES2 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026317-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-04-11 US disclosed
US-6960583-B2 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-20040176376-A1 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-09 US disclosed
US-20020147338-A1 Pyrazolotriazines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-10 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-20020147338-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH ALDH1A1 1460/4885MAPT 2202/4885MEN1 909/4885
US-20040176376-A1 Pyrazolotriazines as CRF antagonists CRHR1, CRHR2, CRH ALDH1A1 1460/4885MAPT 2202/4885MEN1 909/4885

“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.