SCHEMBL23666441

SCHEMBL23666441

Cc1cnc2ccc(N3CCNCC3)nn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BPTF Q12830 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PLD1 Q13393 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39

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
SCHEMBL15258013 0.86 HTT (0.59) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL12411727 0.86 SMN1; SMN2 (0.55) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL23666402 0.84 HTT (0.58) IRAK4HTTSMN1; SMN2KDM4EMAPT
SCHEMBL18590412 0.83 KDM4E (0.61) HTTSMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL15254681 0.82 CSNK1E (0.46) CSNK1EIRAK4HTTSMN1; SMN2BPTF
Hydrochloric Acid SCHEMBL15254596 0.81 CSNK1E (0.45) CSNK1EIRAK4HTTSMN1; SMN2BPTF
SCHEMBL15272443 0.77 DYRK1A (0.53) CSNK1EPLD1DYRK3CCNT1CDK9
SCHEMBL21434305 0.77 SMN1; SMN2 (0.74) CSNK1EHTTSMN1; SMN2BPTFKDM4E
SCHEMBL21765939 0.75 PDE10A (0.44) IRAK4HTTSMN1; SMN2KDM4EDYRK3
SCHEMBL18590994 0.75 RXFP1 (0.46) HTTSMN1; SMN2KDM4EMAPTDYRK3

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-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES Nivien Therapeutics Compny (US) 2021-07-22 — — 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-20210221817-A1 NOVEL HETEROAROMATIC COMPOUNDS AS POTENT MODULATORS OF THE HIPPO-YAP SIGNALING PATHWAY LATS1/2 KINASES LATS1, LATS2, YAP1 CSNK1E 93/4885IRAK4 2630/4885HTT 3021/4885

“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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