SCHEMBL651213

SCHEMBL651213

CCCCCc1nc(C=O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
Hydrochloric Acid SCHEMBL12468552 0.98 GPR84 (0.40) GPR84HIF1AEPAS1ALDH1A1PKM
SCHEMBL633213 0.95 HRH3 (0.38) GPR84HIF1AEPAS1ALDH1A1PKM
SCHEMBL11306926 0.87 GLA (0.34)
SCHEMBL2364798 0.83 ALDH1A1 (0.39) GPR84ALDH1A1PKMHPGDPI4KA
SCHEMBL10766106 0.81 ALDH1A1 (0.41) GPR84ALDH1A1PKMHPGDPI4KA
Bromide SCHEMBL28958169 0.80 ALDH1A1 (0.40) GPR84ALDH1A1PKMHPGDPI4KA
SCHEMBL949418 0.80
SCHEMBL3008390 0.79 KDM4E (0.41) GPR84ALDH1A1HPGD
SCHEMBL3007866 0.77 ATG4B (0.42) GPR84ALDH1A1HPGD
SCHEMBL3010627 0.77 ATG4B (0.42) GPR84ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-11-15 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-01-21 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 GPR84 99/4885HIF1A 4046/4885EPAS1 2564/4885
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 GPR84 2159/4885HIF1A 2635/4885EPAS1 3064/4885
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 GPR84 2159/4885HIF1A 2635/4885EPAS1 3064/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 GPR84 2159/4885HIF1A 2635/4885EPAS1 3064/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 GPR84 1080/4885HIF1A 1700/4885EPAS1 2008/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 GPR84 1080/4885HIF1A 1700/4885EPAS1 2008/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 GPR84 1080/4885HIF1A 1700/4885EPAS1 2008/4885

“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.