SCHEMBL4192158

SCHEMBL4192158

Nc1cnn(CC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.48
PKM P14618 2/20 0.45
ENPP2 Q13822 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23212539 0.98 KLKB1 (0.46) KLKB1PKMENPP2NPC1RAB9A
SCHEMBL23623150 0.95 KLKB1 (0.44) KLKB1PKMENPP2NPC1RAB9A
SCHEMBL3259744 0.91 PIK3CD (0.46) KLKB1PKMENPP2NPC1RAB9A
Hydrochloric Acid SCHEMBL17003092 0.89 MAPT (0.45) KLKB1PKMENPP2PIK3CDPIK3CA
Cyanide SCHEMBL27964377 0.86 PIK3CD (0.43) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL16593759 0.83 LRRK2 (0.41) KLKB1PKMPIK3CDPIK3CAPIK3CB
SCHEMBL1703769 0.81 HDAC1 (0.47) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL1665196 0.81 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2
SCHEMBL31361733 0.81 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2
SCHEMBL31361594 0.81 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-06-06 US disclosed
EP-4308117-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2024-01-24 EP disclosed
WO-2022194953-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION Université de Lausanne (CH) 2022-09-22 WO disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 WO 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 (7 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 KLKB1 1612/4885PKM 857/4885ENPP2 1568/4885
US-20240182475-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH HYPERMINERALIZATION CTH, CBS, GAA KLKB1 2068/4885PKM 1527/4885ENPP2 56/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B KLKB1 884/4885PKM 714/4885ENPP2 3201/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 KLKB1 2234/4885PKM 1204/4885ENPP2 3872/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B KLKB1 884/4885PKM 714/4885ENPP2 3201/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 KLKB1 2679/4885PKM 1304/4885ENPP2 315/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KLKB1 2679/4885PKM 1304/4885ENPP2 315/4885

“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.