SCHEMBL18236205

SCHEMBL18236205

Cc1nc(NC(=O)Nc2ccccc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
KMT2A Q03164 7/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
MEN1 O00255 5/20 0.59
GBA1 P04062 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
ADORA3 P0DMS8 3/20 0.51
PIM1 P11309 2/20 0.51
ADORA2A P29274 1/20 0.51

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
SCHEMBL5691710 0.82 CDK5 (0.65) CDK5CDK5R1KMT2ANPC1RAB9A
SCHEMBL18233061 0.81 KMT2A (0.59) CDK5CDK5R1KMT2ANPC1RAB9A
SCHEMBL21695368 0.79 GRM5 (0.45) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL18236169 0.78 GRM5 (0.42) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL5348546 0.77 CDK5 (0.46) CDK5CDK5R1KMT2ANPC1RAB9A
SCHEMBL31061165 0.77 CDK5 (1.00) CDK5CDK5R1KMT2ANPC1RAB9A
SCHEMBL14014056 0.76 TDP1 (0.66) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL18236206 0.75 RAB9A (0.74) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL2642653 0.74 GRM5 (0.44) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL1142765 0.74 RAB9A (1.00) KMT2ANPC1RAB9AMEN1GBA1

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
WO-2017015451-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 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-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 CDK5 913/4885CDK5R1 281/4885KMT2A 2729/4885

“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.