SCHEMBL22659356

SCHEMBL22659356

Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc2cc(Br)cnc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.51
▸ MAP3K5 Q99683 1/20 0.49
▸ GRM5 P41594 5/20 0.47
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL22659107 0.87 MAP3K5 (0.49) NTRK1MAP3K5MAPTRAB9A
SCHEMBL24571464 0.82 MAPT (0.50) NTRK1GRM5MAPTPOLBRAB9A
SCHEMBL29403364 0.82 MAPT (0.50) NTRK1GRM5MAPTPOLBRAB9A
SCHEMBL22658991 0.81 BRAF (0.50) MAP3K5MAPTLMNA
SCHEMBL29403375 0.80 NTRK1 (0.49) NTRK1GRM5MAPTRAB9A
SCHEMBL22659299 0.80 NTRK1 (0.49) NTRK1GRM5MAPTRAB9A
SCHEMBL22659088 0.80 MAP3K5 (0.45) NTRK1MAP3K5RAB9A
SCHEMBL22659309 0.79 HPGDS (0.63) MAP3K5RAB9A
SCHEMBL2858001 0.78 GRM5 (0.70) NTRK1GRM5MAPTPOLBLMNA
SCHEMBL22659082 0.76 MAPK14 (0.53) NTRK1MAPTLMNA

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-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 — — 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 (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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 NTRK1 2504/4885MAP3K5 1871/4885GRM5 746/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 NTRK1 2504/4885MAP3K5 1871/4885GRM5 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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