SCHEMBL938982

SCHEMBL938982

Nc1cccnc1C(=O)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.69
ATR Q13535 5/20 0.69
PRKCI P41743 4/20 0.62
PIM1 P11309 1/20 0.56
PIM3 Q86V86 1/20 0.56
CYP2C9 P11712 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
PRKDC P78527 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL3175503 0.86 GRM4 (0.72) GRM4ATRPRKCICYP2C9ALDH1A1
SCHEMBL15882338 0.83 GRM4 (0.60) GRM4ATRPRKCIPIM1PIM3
SCHEMBL13201028 0.81 ATR (0.61) GRM4ATRPRKCIPIM1MEN1
SCHEMBL28276095 0.81 PRKCI (0.63) GRM4ATRPRKCIMEN1ALDH1A1
SCHEMBL7974510 0.80 ATR (0.59) GRM4ATRPRKCIPIM1PIM3
SCHEMBL5936350 0.80 HTT (0.60) ATRPRKCICYP2C9MEN1ALDH1A1
SCHEMBL27212635 0.79 GRM4 (0.55) GRM4PIM1PIM3CYP2C9ALDH1A1
SCHEMBL1186799 0.79 GRM4 (0.55) GRM4ATRPRKCIPIM1PIM3
SCHEMBL9379517 0.78 PRKCI (0.68) GRM4ATRPRKCICYP2C9MEN1
SCHEMBL1228642 0.77 GRM4 (0.54) GRM4PIM1PIM3CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272426-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-05-31 CN disclosed
CN-110194772-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-04-05 CN disclosed
CN-108473476-B Alkynyl heterocyclic compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2021-02-19 CN disclosed
CN-110272426-A For inhibiting (miscellaneous) the fragrant cyclics of the alkynyl of protein kinase activity 深圳市塔吉瑞生物医药有限公司 2019-09-24 CN disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US disclosed
EP-2220089-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2010-08-25 EP disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 WO disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA GRM4 2840/4885ATR 1585/4885PRKCI 53/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 GRM4 4482/4885ATR 779/4885PRKCI 4032/4885

“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.