SCHEMBL197153

SCHEMBL197153

[c]1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.61
AKT1 P31749 6/20 0.61
ROCK2 O75116 3/20 0.42
ILK Q13418 1/20 0.41
PLK1 P53350 1/20 0.41
ACVR1 Q04771 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT3 Q9Y243 3/20 0.39
PRKACA P17612 2/20 0.39
PRKCD Q05655 2/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
LATS1 O95835 1/20 0.39
PRKACB P22694 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GRK2 P25098 1/20 0.39
RPS6KA3 P51812 1/20 0.39
ROCK1 Q13464 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39

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
SCHEMBL16432987 0.83 AKT2 (0.76) AKT2AKT1ROCK2ILKPLK1
SCHEMBL15689115 0.83 AKT2 (0.76) AKT2AKT1ROCK2ILKPLK1
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1ROCK2ILKACVR1
SCHEMBL3141719 0.78 AKT2 (0.47) AKT2AKT1ROCK2ILKACVR1
SCHEMBL2156408 0.78 ILK (0.43) AKT2AKT1ILKMAPK1
Hydrochloric Acid SCHEMBL28973063 0.77 AKT2 (0.67) AKT2AKT1ROCK2ILKACVR1
Benzene SCHEMBL28198087 0.76 AKT2 (1.00) AKT2AKT1ROCK2ILKPIM1
SCHEMBL82741 0.76 AKT2 (1.00) AKT2AKT1ROCK2ILKPIM1
SCHEMBL294336 0.75 AKT2 (0.59) AKT2AKT1ROCK2ILKMAPK1
SCHEMBL16872766 0.74 AKT2 (0.95) AKT2AKT1ROCK2ILKPIM1

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 362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201200-A1 Methods for Treating Huntington’s Disease PTC THERAPEUTICS INC (US) 2023-06-29 US claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP claimed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LIMITED (GB) 2005-07-07 US claimed
CN-1606443-A Substituted diketopiperazines as oxytocin antagonists GLAXO GROUP LTD (GB) 2005-04-13 CN claimed
WO-2005000311-A1 SUBSTITUTED DIKETOPIPERAZINES FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA GLAXO GROUP LIMITED (GB) 2005-01-06 WO claimed
EP-1458393-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
WO-2003053443-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-07-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 AKT2 1682/4885AKT1 1384/4885ROCK2 643/4885
US-20050148572-A1 Substituted diketopiperazines as oxytocin antagonists OXTR, AVPR2, AVPR1B AKT2 4538/4885AKT1 4800/4885ROCK2 4300/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA AKT2 11/4885AKT1 22/4885ROCK2 1/4885
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 AKT2 2820/4885AKT1 3463/4885ROCK2 4081/4885
US-20230201200-A1 Methods for Treating Huntington’s Disease HTT, HYPK, HDAC6 AKT2 3450/4885AKT1 3356/4885ROCK2 2681/4885

“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.