SCHEMBL21246100

SCHEMBL21246100

CN(Cc1ccccc1)c1cc(Cl)nc2c(CN)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ DHFR P00374 1/20 0.35
▸ PDE9A O76083 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PRKACA P17612 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
SCHEMBL20696803 0.82 SMN1; SMN2 (0.43) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL20689113 0.82 TYK2 (0.44) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL21947141 0.81 CSNK2A1 (0.57) SMN1; SMN2MAPTCSNK2A1ALDH1A1TSHR
SCHEMBL20689640 0.78 KDM4E (0.46) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL20688889 0.76 KDM4E (0.53) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL23327500 0.74 ALDH1A1 (0.43) SMN1; SMN2MAPTCSNK2A1RAB9ANPC1
SCHEMBL20689642 0.72 TYK2 (0.44) —
SCHEMBL21227509 0.71 TYK2 (0.45) —
SCHEMBL26098304 0.71 PTPN1 (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL23327537 0.70 NR3C2 (0.38) SMN1; SMN2NPC1ALDH1A1KDM4EKMT2A

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-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 — — US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — 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 (2 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-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885TP53 2843/4885MAPT 1236/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885TP53 2843/4885MAPT 1236/4885

“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.

Send feedback