SCHEMBL21208524

SCHEMBL21208524

Oc1nc2cc(Cl)cnc2n2c1nc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ PDE2A O00408 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ HPGD P15428 6/20 0.37
▸ HSD17B10 Q99714 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL21208480 0.86 TYMS (0.47) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208489 0.78 KDM4E (0.41) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208535 0.77 EGFR (0.39) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL21208517 0.75 HPGD (0.40) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208568 0.73 IKBKB (0.47) KDM4EALDH1A1POLBGAALMNA
SCHEMBL21208431 0.73 PTPN11 (0.38) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208528 0.71 KDM4E (0.40) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208511 0.70 KDM4E (0.45) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL21208491 0.66 TYMS (0.50) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL19786607 0.65 TYMS (0.60) KDM4EALDH1A1MAPTSMN1; SMN2POLB

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 KDM4E 1957/4885ALDH1A1 1878/4885MAPT 4120/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885MAPT 4105/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885ALDH1A1 2282/4885MAPT 4128/4885

“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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