SCHEMBL15340441

SCHEMBL15340441

CC(C)c1csc2c(N)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 9/20 0.40
CDC7 O00311 9/20 0.40
CDK5 Q00535 2/20 0.40
PLK4 O00444 2/20 0.40
AURKA O14965 2/20 0.40
ROCK2 O75116 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
RPS6KB1 P23443 2/20 0.40
CDK2 P24941 2/20 0.40
MARK3 P27448 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CSNK1D P48730 2/20 0.40
GSK3A P49840 2/20 0.40
STK3 Q13188 2/20 0.40
ROCK1 Q13464 2/20 0.40
DYRK1A Q13627 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
AURKB Q96GD4 2/20 0.40

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
SCHEMBL12913596 0.80 FFAR2 (0.31) NPC1
SCHEMBL18222856 0.79 AXL (0.38) AXLMKNK2NPC1ALDH1A1MAPT
SCHEMBL2232610 0.77 LIMK1 (0.36) LIMK1CDC7CDK5PLK4AURKA
SCHEMBL29722953 0.76 NPC1 (0.50) LIMK1CDC7CDK5PLK4AURKA
SCHEMBL1868539 0.76 NPC1 (0.50) LIMK1CDC7CDK5PLK4AURKA
SCHEMBL10120450 0.75 LIMK1 (0.46) LIMK1CDC7CDK5PLK4AURKA
Hydrochloric Acid SCHEMBL31220462 0.74 NPC1 (0.49) LIMK1CDC7CDK5PLK4AURKA
SCHEMBL15340420 0.74 NR4A2 (0.32)
SCHEMBL30251691 0.73 LIMK1 (0.44) LIMK1CDC7CDK5PLK4AURKA
SCHEMBL2315317 0.73 LIMK1 (0.44) LIMK1CDC7CDK5PLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS MEDIVIR AB (SE) 2017-09-28 US disclosed
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 US disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 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-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP LIMK1 4647/4885CDC7 367/4885CDK5 1261/4885
US-20170275322-A1 METHODS FOR THE PREPARATION OF DIASTEREOMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PNP, PAICS, NUDT1 LIMK1 4595/4885CDC7 656/4885CDK5 681/4885

“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.