SCHEMBL21208430

SCHEMBL21208430

C[C@@H]1CN(c2nc3cncnc3n3c2nc2ccccc23)C[C@H](C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.37
▸ CYP1A2 P05177 7/20 0.36
▸ CYP3A4 P08684 6/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ USP2 O75604 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ TSHR P16473 4/20 0.36
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 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
SCHEMBL21208498 0.85 HTR3E (0.41) HRH4KMT2AOPRM1OPRK1OPRL1
SCHEMBL21208431 0.83 PTPN11 (0.38) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208460 0.80 HRH4 (0.40) HRH4CYP1A2CYP3A4KMT2AMEN1
SCHEMBL21208520 0.80 HTR3E (0.38) HRH4CYP1A2CYP3A4KMT2AMEN1
SCHEMBL21208545 0.77 HRH4 (0.54) HRH4CYP1A2CYP3A4KMT2AMEN1
SCHEMBL21208537 0.73 EGFR (0.40) CYP1A2CYP3A4KMT2ACLK4MEN1
SCHEMBL21208535 0.72 EGFR (0.39) CYP1A2CYP3A4KMT2ACLK4MEN1
SCHEMBL21208465 0.72 TYMS (0.47) CYP1A2CYP3A4KMT2ACLK4MEN1
SCHEMBL21208562 0.71 PDE10A (0.42) HRH4OPRM1OPRK1OPRL1TSHR
SCHEMBL18057510 0.70 KDM4E (0.34) KMT2AMEN1MAPTGAACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 HRH4 4472/4885CYP1A2 651/4885CYP3A4 708/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885CYP1A2 2357/4885CYP3A4 1857/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HRH4 4656/4885CYP1A2 1418/4885CYP3A4 1313/4885

“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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