SCHEMBL19782948

SCHEMBL19782948

COc1ncc(NC(=S)NC(=O)c2ccccc2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ ALDH1A1 P00352 6/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ EPHX1 P07099 2/20 0.53
▸ ALOX12 P18054 3/20 0.53
▸ HPGD P15428 1/20 0.52
▸ SMO Q99835 1/20 0.51
▸ MEN1 O00255 2/20 0.50

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
SCHEMBL21424379 0.86 NPC1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16554719 0.81 PTGS2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5713551 0.77 NPC1 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL25347779 0.77 SMO (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16164495 0.77 PIK3CA (0.44) ALDH1A1KMT2AMEN1
SCHEMBL19783077 0.76 NPSR1 (0.44) —
SCHEMBL24769827 0.75 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL11056864 0.75 NPC1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19963526 0.75 RAB9A (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL16554359 0.74 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
CN-109689649-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2022-07-19 — — CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
US-10730868-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
EP-3484881-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 — — EP disclosed
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 — — US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — 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 (4 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-10730868-B2 Bicyclic heteroaryl substituted compounds F2, PF4, F2RL3 RAB9A 1522/4885NPC1 2002/4885ALDH1A1 1904/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 RAB9A 667/4885NPC1 2639/4885ALDH1A1 1618/4885
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS PF4, F2, F2RL3 RAB9A 1571/4885NPC1 1904/4885ALDH1A1 1537/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 RAB9A 748/4885NPC1 2194/4885ALDH1A1 1598/4885

“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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