SCHEMBL4989872

SCHEMBL4989872

NCc1cccc2c1Cc1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 1.00
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
DPP4 P27487 2/20 0.44
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 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
SCHEMBL223349 0.85 PNMT (0.74) PNMTDRD2DRD4DRD3HTR7
SCHEMBL7195192 0.84 PNMT (0.72) PNMTDRD2DRD4DRD3HTR7
SCHEMBL5366733 0.84 PNMT (0.72) PNMTDRD2DRD4DRD3HTR7
SCHEMBL10494224 0.83 PNMT (0.71) PNMTDRD2DPP4HTR2ABCHE
SCHEMBL7607164 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7
SCHEMBL6558685 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7
SCHEMBL9859906 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7
SCHEMBL7603814 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7
SCHEMBL7609046 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7
SCHEMBL7606240 0.82 PNMT (0.70) PNMTDRD2DRD4DRD3HTR7

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
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed
US-11046696-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-11008324-B2 2021-05-18 US disclosed
US-10807986-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-10-20 US disclosed
US-20200270253-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-08-27 US disclosed
US-20190330214-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-10-31 US disclosed
US-10155768-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-12-18 US disclosed
EP-3269370-A1 NOVEL CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-01-17 EP disclosed
US-20180009818-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-01-11 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 EP disclosed
US-4663313-A N6 -tricyclic adenosines for treating hypertension WARNER-LAMBERT COMPANY (US) 1987-05-05 US disclosed
US-4593019-A Therapy for psychosis WARNER-LAMBERT COMPANY (US) 1986-06-03 US disclosed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 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 (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-20190330214-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 PNMT 4282/4885DRD2 3007/4885DRD4 2914/4885
US-20180009818-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 PNMT 4282/4885DRD2 3007/4885DRD4 2914/4885
US-11046696-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 PNMT 3922/4885DRD2 2877/4885DRD4 2818/4885
US-11008324-B2 RET, GFRA1, GFRA2 PNMT 4093/4885DRD2 3340/4885DRD4 3547/4885
US-10155768-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 PNMT 3922/4885DRD2 2877/4885DRD4 2818/4885
US-10807986-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 PNMT 3922/4885DRD2 2877/4885DRD4 2818/4885
US-20200270253-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 PNMT 4282/4885DRD2 3007/4885DRD4 2914/4885

“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.