SCHEMBL7942287

SCHEMBL7942287

Nc1nc(Cl)nc2c1CCNC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.39
CD44 P16070 1/20 0.33
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL16916827 0.85 PNMT (0.39) PNMTHTR2AHTR2CHTR2BADRA2A
SCHEMBL7935912 0.81 PNMT (0.42) PNMTPARP1TNKS2PARP2HTR2A
SCHEMBL5769370 0.81 CD44 (0.35) PNMTCD44PARP1TNKS2PARP2
Hydrochloric Acid SCHEMBL21753155 0.79 PNMT (0.41) PNMTPARP1TNKS2PARP2HTR2A
SCHEMBL31536283 0.78 PNMT (0.39) PNMTPARP1TNKS2PARP2HTR2A
SCHEMBL15859963 0.78 HTR2A (0.39) PNMTCD44PARP1TNKS2PARP2
SCHEMBL9269307 0.72 ACHE (0.52) ADRA2A
SCHEMBL9267023 0.72 ACHE (0.50) ADRA2A
SCHEMBL11288061 0.71 ACHE (0.50) ADRA2A
SCHEMBL16916256 0.69 NNMT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023033742-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-03-09 WO disclosed
CN-106458996-B Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2020-11-03 CN disclosed
EP-3097092-B1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2020-08-26 EP disclosed
US-10174005-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2019-01-08 US disclosed
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. 2018-02-15 US disclosed
US-9828363-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2017-11-28 US disclosed
WO-2016200840-A1 MONO AND BICYCLIC RING BORONIC ACID, ESTER AND SALT COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-12-15 WO disclosed
EP-3097092-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX Cleave Biosciences, Inc. (US) 2016-11-30 EP disclosed
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-11-17 US disclosed
WO-2015109285-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2015-07-23 WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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 (3 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-10174005-B2 Fused pyrimidines as inhibitors of p97 complex WDR77, POP1, PSMG3 PNMT 3575/4885CD44 4171/4885PARP1 2231/4885
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 PNMT 3575/4885CD44 4171/4885PARP1 2231/4885
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 PNMT 3566/4885CD44 4182/4885PARP1 2244/4885

“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.