SCHEMBL2039823

SCHEMBL2039823

COc1ccnc(Br)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ CDK5R1 Q15078 3/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL30068221 0.80 HPGD (0.55) IKBKBMAPTCDK5CDK5R1CCNT1
SCHEMBL29745025 0.78 NOS3 (0.52) IKBKBMAPTNOS3NOS2NOS1
SCHEMBL2954177 0.78 NOS3 (0.52) IKBKBMAPTNOS3NOS2NOS1
SCHEMBL527027 0.78 HPGD (0.42) NSD2CASP6MAPTNOS3NOS2
SCHEMBL3202404 0.77 IKBKB (0.45) IKBKBMAPTNOS3NOS2NOS1
SCHEMBL31284870 0.77 GAK (0.38) HPGDSMN1; SMN2EGFRCA2
SCHEMBL29513590 0.77 IKBKB (0.45) IKBKBMAPTNOS3NOS2NOS1
SCHEMBL14353296 0.77 IKBKB (0.41) IKBKBMAPTNOS3NOS2NOS1
SCHEMBL30949939 0.77 HPGD (0.37) NSD2CASP6GAAHPGDSMN1; SMN2
SCHEMBL25254061 0.76 MBOAT4 (0.32) MAPTHPGDSMN1; SMN2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 — — EP disclosed
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ATOMWISE INC (US) 2026-02-19 — — US disclosed
US-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 — — US disclosed
EP-4568954-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-06-18 — — EP disclosed
CN-119677729-A Cyclin Dependent Kinase (CDK) 12 and/or CDK13 inhibitors and uses thereof 英矽智能科技知识产权有限公司 2025-03-21 — — CN disclosed
US-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 — — US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 — — US disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 — — WO disclosed
US-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS MEDIVIR AB (SE) 2024-02-22 — — US disclosed
WO-2024032561-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-02-15 — — WO disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 — — WO disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — US disclosed
EP-2519520-A1 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLOPYRIDINYL)-METHANONE DERIVATIVES AS TRYPTASE INHIBITORS SANOFI (FR) 2012-11-07 — — EP disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 — — US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 — — US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 — — US disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 — — WO disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 — — 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 (7 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-20240059689-A1 PURINE DERIVATIVES AS ANTICANCER AGENTS RRM2, TYMP, PNP IKBKB 881/4885NSD2 1640/4885CASP6 855/4885
US-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 IKBKB 113/4885NSD2 1136/4885CASP6 2798/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 IKBKB 154/4885NSD2 2538/4885CASP6 916/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 IKBKB 113/4885NSD2 1136/4885CASP6 2798/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 IKBKB 4324/4885NSD2 482/4885CASP6 4015/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 IKBKB 113/4885NSD2 1136/4885CASP6 2798/4885
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF CMA1, TPSB2, TPH1 IKBKB 988/4885NSD2 3900/4885CASP6 746/4885

“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.

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