SCHEMBL22966858

SCHEMBL22966858

Cc1nnc(COc2ccc(-c3nnc(Nc4ccc5[nH]ncc5c4)[nH]3)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.43
▸ TNIK Q9UKE5 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ SMO Q99835 1/20 0.39
▸ MAOB P27338 4/20 0.39
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PRKG1 Q13976 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ DHODH Q02127 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
SCHEMBL24968634 0.87 RET (0.36) CACNA2D1TNIKNPC1KDRROCK2
SCHEMBL22967232 0.87 RET (0.44) TNIKKDRROCK2MAOBSYK
SCHEMBL24094169 0.84 NPC1 (0.55) CACNA2D1TNIKMEN1KMT2ANPC1
SCHEMBL21217616 0.82 CDC7 (0.54) TNIKMAOBCDC7
SCHEMBL22966729 0.81 TNIK (0.44) CACNA2D1TNIKMEN1KMT2ANPC1
SCHEMBL21217772 0.81 TNIK (0.61) TNIKNPC1RAB9AKDRROCK2
SCHEMBL24610341 0.81 TNIK (0.45) CACNA2D1TNIKMEN1KMT2ANPC1
SCHEMBL21217532 0.80 TNIK (0.44) CACNA2D1TNIKMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL21198146 0.80 TNIK (0.60) TNIKNPC1RAB9AKDRROCK2
SCHEMBL21217908 0.79 MEN1 (0.52) TNIKMEN1KMT2ANPC1RAB9A

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-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA CACNA2D1 3693/4885TNIK 251/4885MEN1 2886/4885

“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