SCHEMBL13081092

SCHEMBL13081092

Cc1ccnc2c1CCCN2C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TNKS O95271 9/20 0.39
PARP1 P09874 9/20 0.39
TNKS2 Q9H2K2 9/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAP4K1 Q92918 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL256752 0.91 HTR2A (0.47) HTR2AHTR2CHTR2BTNKSPARP1
SCHEMBL23467644 0.82 TNKS (0.36) HTR2CTNKSPARP1TNKS2KDM4E
SCHEMBL38657933 0.82 KDM4E (0.41) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL23104255 0.82 HTR2A (0.45) HTR2AHTR2CHTR2BTNKSPARP1
SCHEMBL16019535 0.81 HTR2A (0.49) HTR2AHTR2CHTR2BTNKSPARP1
SCHEMBL24718808 0.75 MTNR1A (0.40) HTR2AHTR2CHTR2BTNKSPARP1
SCHEMBL19391610 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL23600972 0.73 MAP4K1 (0.32) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL26618580 0.71 KDM4E (0.40) TNKSPARP1TNKS2KDM4EALDH1A1
SCHEMBL13354227 0.70 RAD52 (0.37) HTR2AHTR2CHTR2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 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 (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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTR2A 2583/4885HTR2C 3247/4885HTR2B 2479/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR2A 4199/4885HTR2C 4249/4885HTR2B 3799/4885

“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.