SCHEMBL25678940

SCHEMBL25678940

N#Cc1cccc2c1ncn2C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PI4KA P42356 3/20 0.40
▸ PI4K2B Q8TCG2 3/20 0.40
▸ PI4K2A Q9BTU6 3/20 0.40
▸ PI4KB Q9UBF8 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14722572 0.81 CYP2C19 (0.45) CTSLHSD17B10GRM2NPC1PI4KA
SCHEMBL11409759 0.74 GRM2 (0.56) GRM2KDM4EALDH1A1TSHROPRM1
SCHEMBL6211429 0.73 OPRM1 (0.63) HSD17B10GAANPC1KDM4EALDH1A1
SCHEMBL11562405 0.72 DRD2 (0.61) HSD17B10GAANPC1KDM4EALDH1A1
SCHEMBL6427934 0.70 IMPDH2 (0.43) GRM2GAACYP17A1KDM4EALDH1A1
SCHEMBL28126038 0.70 GRM2 (0.40) GRM2ALDH1A1TSHRRAB9AKMT2A
SCHEMBL25332311 0.69 DDB1 (0.57) HSD17B10GAACYP17A1PI4KAPI4K2B
SCHEMBL3931858 0.68 DRD2 (0.61) HSD17B10GAANPC1KDM4EALDH1A1
SCHEMBL17940706 0.68 HTT (0.51) PI4KAPI4K2BPI4K2API4KB
SCHEMBL7027304 0.68 ADORA2A (0.47) HSD17B10GAANPC1PI4KAPI4K2B

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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 CTSL 3195/4885CTSS 3219/4885CTSB 2405/4885

“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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