SCHEMBL3546695

SCHEMBL3546695

CN(C)/C=C/C(=O)c1cnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ RECQL P46063 1/20 0.46
▸ EPHB3 P54753 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HAT1 O14929 2/20 0.39
▸ EP300 Q09472 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL3546699 1.00 NPC1 (0.49) NPC1RAB9ARECQLEPHB3MAPT
SCHEMBL28718664 0.80 CYP1A2 (0.43) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL29883915 0.80 CYP1A2 (0.43) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL23245937 0.78 RAB9A (0.49) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL22876522 0.78 HTT (0.39) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL23245919 0.78 MAPT (0.49) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL29543833 0.78 ALDH1A1 (0.43) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL23245940 0.78 RAB9A (0.49) NPC1RAB9ARECQLMAPTALDH1A1
SCHEMBL23245952 0.78 CYP1A2 (0.49) RECQLMAPTALDH1A1ADORA2ATDP1
SCHEMBL23245988 0.78 RAB9A (0.49) NPC1RAB9ARECQLMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502555-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amine for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2024-07-16 — — CN disclosed
CN-114269742-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amine as therapeutic agents 常州千红生化制药股份有限公司 2024-07-16 — — CN disclosed
EP-3997088-A1 DERIVATIVES OF 4-(IMIDAZO[L,2-A]PYRIDIN-3-YL)-N-(PYRIDINYL)PYRIMIDIN- 2-AMINE AS THERAPEUTIC AGENTS Aucentra Therapeutics Pty Ltd (AU) 2022-05-18 — — EP disclosed
CN-114502555-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amines for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2022-05-13 — — CN disclosed
CN-114269742-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-04-01 — — CN disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 — — EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A NPC1 2808/4885RAB9A 657/4885RECQL 237/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 NPC1 2452/4885RAB9A 2608/4885RECQL 2590/4885

“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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