SCHEMBL4929602

SCHEMBL4929602

Cc1ccc(-c2cc(C(=O)O)nn2-c2cnccn2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PPP1CA P62136 1/20 0.41
RPA1 P27694 4/20 0.40
KDM4C Q9H3R0 4/20 0.40
KDM5B Q9UGL1 4/20 0.40
KDM5A P29375 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NAPRT Q6XQN6 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
MARS1 P56192 1/20 0.38
KDM4A O75164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4927931 0.86 MARS1 (0.52) SMN1; SMN2PPP1CARPA1KDM4CKDM5B
SCHEMBL4923164 0.85 KMT2A (0.43) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL5525584 0.85 CNR1 (0.41) SMN1; SMN2CYP3A4CYP2A6KDM4ENPC1
SCHEMBL27648486 0.84 KDM4E (0.39) SMN1; SMN2PPP1CARPA1KDM4CKDM5B
SCHEMBL4932097 0.82 MARS1 (0.53) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL4932650 0.81 MEN1 (0.44) SMN1; SMN2PPP1CARPA1MEN1KMT2A
SCHEMBL4931356 0.81 MEN1 (0.41) SMN1; SMN2PPP1CARPA1KDM4CKDM5B
SCHEMBL5266481 0.81 PPP1CA (0.41) SMN1; SMN2PPP1CARPA1KDM4CKDM5B
SCHEMBL4934939 0.81 CYP3A4 (0.40) ALDH1A1CYP3A4
SCHEMBL27648500 0.79 PPP1CA (0.45) SMN1; SMN2PPP1CARPA1KDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 SMN1; SMN2 3660/4885PPP1CA 3996/4885RPA1 1135/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 4048/4885PPP1CA 4697/4885RPA1 1661/4885

“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.