SCHEMBL21238682

SCHEMBL21238682

CN(Cc1ccccc1)c1cc(Cl)cc2c(C(N)=O)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRA1D P25100 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PLAU P00749 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
SCHEMBL20697424 0.85 KMT2A (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20689113 0.81 TYK2 (0.44) RPS6KB1NPC1RAB9AMEN1KMT2A
SCHEMBL20696803 0.75 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20689640 0.71 KDM4E (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21227361 0.71 TYK2 (0.61) ALDH1A1KDM4ETYK2
SCHEMBL2497244 0.70 RPS6KB1 (0.49) RPS6KB1NPC1RAB9AMEN1KMT2A
SCHEMBL20678910 0.70 ALDH1A1 (0.44) ADRA1DALDH1A1KDM4ETYK2JAK2
SCHEMBL20688889 0.70 KDM4E (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21246100 0.67 SMN1; SMN2 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21238770 0.64 KMT2A (0.35) MEN1KMT2AALDH1A1KDM4ENPSR1

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-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 — — US disclosed
US-20190241577-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-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RPS6KB1 754/4885NPC1 4595/4885RAB9A 3462/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RPS6KB1 754/4885NPC1 4595/4885RAB9A 3462/4885

“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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