SCHEMBL19775320

SCHEMBL19775320

COC1Cc2ccc(N)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL29589235 1.00 IDO1 (0.38) IDO1MAPTKDM4ENPC1ALDH1A1
SCHEMBL29113506 0.85 CYP1A2 (0.52) IDO1MAPTKDM4ENPC1ALDH1A1
SCHEMBL30612399 0.85 CYP1A2 (0.52) IDO1MAPTKDM4ENPC1ALDH1A1
SCHEMBL7909110 0.78 PSEN1 (0.40) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL23555197 0.78 ACHE (0.39) IDO1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18496459 0.77 ALDH1A1 (0.42) MAPTKDM4ENPC1ALDH1A1LMNA
SCHEMBL16654717 0.77 PSEN1 (0.42) IDO1MAPTKDM4ENPC1ALDH1A1
SCHEMBL6200513 0.77 ALDH1A1 (0.42) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL31394911 0.76 PNMT (0.49) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL19022962 0.76 PNMT (0.49) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2

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 10 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
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

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 IDO1 4242/4885MAPT 2652/4885KDM4E 1898/4885
US-20180009818-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 IDO1 4242/4885MAPT 2652/4885KDM4E 1898/4885
US-11046696-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 IDO1 4046/4885MAPT 2515/4885KDM4E 1849/4885
US-11008324-B2 RET, GFRA1, GFRA2 IDO1 3860/4885MAPT 3214/4885KDM4E 1628/4885
US-10155768-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 IDO1 4046/4885MAPT 2515/4885KDM4E 1849/4885
US-10807986-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 IDO1 4046/4885MAPT 2515/4885KDM4E 1849/4885
US-20200270253-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 IDO1 4242/4885MAPT 2652/4885KDM4E 1898/4885

“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.