SCHEMBL20038293

SCHEMBL20038293

CC(C)(C)c1ccc2c(n1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL4214214 0.88 HTR2C (0.42) PNMTHTR2CHTR2AHTR2B
SCHEMBL18820432 0.86 HTR2C (0.42) PNMTHTR2CHTR2AHTR2BADRA2A
Hydrochloric Acid SCHEMBL4195138 0.86 HTR2C (0.41) PNMTHTR2CHTR2AHTR2B
SCHEMBL20038338 0.84 PNMT (0.31) PNMT
SCHEMBL26457284 0.83 CYP3A4 (0.36) PNMTCYP3A4HTR2CHTR2AHTR2B
SCHEMBL1019803 0.83 CYP3A4 (0.41) PNMTCYP3A4HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL3881128 0.81 CYP3A4 (0.40) PNMTCYP3A4HTR2CHTR2AHTR2B
SCHEMBL3410304 0.77 CYP3A4 (0.44) PNMTCYP3A4HTR2CHTR2BADRA2A
SCHEMBL13090252 0.76 CYP3A4 (0.38) PNMTCYP3A4HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL17965646 0.75 CYP3A4 (0.43) PNMTCYP3A4HTR2CHTR2BADRA2A

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
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
US-10253025-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds SCIFLUOR LIFE SCIENCES, INC. (US) 2019-04-09 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 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 (5 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PNMT 4226/4885CYP3A4 3328/4885HTR2C 2362/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 PNMT 2330/4885CYP3A4 6/4885HTR2C 625/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 PNMT 4722/4885CYP3A4 4655/4885HTR2C 2559/4885
US-10253025-B2 Method of making tetrahydronaphthyridinyl nonanoic acid compounds NISCH, SLC10A1, AANAT PNMT 175/4885CYP3A4 346/4885HTR2C 496/4885
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP PNMT 2664/4885CYP3A4 2133/4885HTR2C 4260/4885

“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.