SCHEMBL21948020

SCHEMBL21948020

CN(Cc1ccccc1)c1cccn2ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ APOBEC3A P31941 1/20 0.38
▸ MERTK Q12866 2/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ AXL P30530 1/20 0.36

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
SCHEMBL21948027 0.75 ALDH1A1 (0.39) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL21948021 0.72 ZAP70 (0.39) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL23993917 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL10918746 0.70 ATP4A (0.48) KDM4ENPC1RAB9ATSHRSMN1; SMN2
SCHEMBL2024425 0.70 GABRA1 (0.44) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL12889093 0.69 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL183867 0.69 ATP4A (0.51) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL450600 0.68 TRPM8 (0.57) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL5182572 0.66 NR1H2 (0.50) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL9965483 0.66 AOC3 (0.52) ALDH1A1KDM4ENPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885NPC1 4595/4885

“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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