SCHEMBL22307473

SCHEMBL22307473

CNCCc1nn(C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KAT2B Q92831 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL2274030 0.83 KDM4E (0.42) KDM4EHTR2ACNR1CNR2FEN1
SCHEMBL7073025 0.81 GPR3 (0.43) KDM4EALDH1A1HTR2AHTTLMNA
SCHEMBL23174744 0.79 ALDH1A1 (0.44) KDM4EATMHTR3EHTR3BHTR3A
SCHEMBL29796752 0.79 ALDH1A1 (0.44) KDM4EATMHTR3EHTR3BHTR3A
SCHEMBL17910321 0.77 KDM4E (0.41) KDM4EHTR2ACNR1CNR2FEN1
SCHEMBL29585194 0.77 KDM4E (0.41) KDM4EHTR2ACNR1CNR2FEN1
SCHEMBL5009531 0.77 L3MBTL1 (0.45) KDM4EATMALDH1A1HTR2AALOX15
SCHEMBL19501177 0.77 ADRA1A (0.45) KDM4EALDH1A1HTTLMNACNR2
SCHEMBL12797586 0.76 HDAC3 (0.47) KDM4EHTR6KAT2BALDH1A1HTR2A
SCHEMBL20548896 0.75 KDM4E (0.44) KDM4EHTR2ACNR1CNR2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — 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 (1 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS KDM4E 1414/4885TAAR1 4453/4885ATM 1110/4885

“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.

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