SCHEMBL21208460

SCHEMBL21208460

Cc1ccc2nc(N3C[C@@H](C)N[C@@H](C)C3)c3nc4ccccc4n3c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.40
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ TP53 P04637 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208562 0.81 PDE10A (0.42) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208430 0.80 HRH4 (0.37) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208520 0.79 HTR3E (0.38) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208431 0.78 PTPN11 (0.38) HRH4OPRM1OPRK1OPRL1MAPT
SCHEMBL21208572 0.76 HRH4 (0.59) HRH4MAPTHTR2CHTR3EHTR3B
SCHEMBL21208511 0.72 KDM4E (0.45) MAPTTP53KDM4ELMNAHSD17B10
SCHEMBL21208459 0.72 TYMS (0.51) MAPTTP53KDM4ELMNAHSD17B10
SCHEMBL18059235 0.70 KDM4E (0.43) MAPTTP53KDM4ELMNAHSD17B10
SCHEMBL18042581 0.70 CAMKK1 (0.40) MAPTTP53KDM4ELMNAHSD17B10

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 4472/4885OPRM1 4010/4885OPRK1 2438/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885OPRM1 4469/4885OPRK1 2864/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HRH4 4656/4885OPRM1 4176/4885OPRK1 2777/4885

“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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