SCHEMBL1780298

SCHEMBL1780298

Cn1ncc2c([N+](=O)[O-])cc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.46
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 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
SCHEMBL30860915 0.83 CREBBP (0.47) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL27227845 0.83 CREBBP (0.47) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL27227902 0.81 CREBBP (0.46) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL22411798 0.81 CREBBP (0.43) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL31543922 0.78 MAPT (0.41) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL22411925 0.78 CREBBP (0.46) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL27227910 0.78 CREBBP (0.49) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL27227826 0.78 VCAM1 (0.47) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL10596779 0.77 HPRT1 (0.46) CREBBPLMNAHTTALDH1A1CYP3A4
SCHEMBL15910918 0.77 ERN1 (0.56) CREBBPLMNAHTTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594305-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF Insilico Medicine IP Limited (HK) 2025-08-06 — — EP disclosed
CN-119968359-A TEAD inhibitors and methods of use thereof 英矽智能科技知识产权有限公司 2025-05-09 — — CN disclosed
US-12103915-B2 TEAD inhibitors and methods of uses thereof INSILICO MEDICINE IP LIMITED (HK) 2024-10-01 — — US disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
US-20240166608-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2024-05-23 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
WO-2024067773-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-04-04 — — WO disclosed
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 — — US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 — — US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 — — EP disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 — — US disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 — — US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — 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 (5 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-12103915-B2 TEAD inhibitors and methods of uses thereof TEAD2, TEAD3, TEAD4 CREBBP 1878/4885LMNA 2460/4885HTT 2577/4885
US-20240166608-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF TEAD2, TEAD3, TEAD4 CREBBP 1878/4885LMNA 2460/4885HTT 2577/4885
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 CREBBP 1352/4885LMNA 4412/4885HTT 2896/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD CREBBP 1346/4885LMNA 4734/4885HTT 3190/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 CREBBP 994/4885LMNA 2647/4885HTT 466/4885

“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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