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SCHEMBL20649012

SCHEMBL20649012

Cc1nc(NC(=O)c2n[nH]c3c2C(C)(C)Cc2cnc(N)nc2-3)sc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CDK4 P11802 3/20 0.33
▸ CCND3 P30281 3/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ RAB9A P51151 5/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 7/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL30183945 1.00 PKM (0.37) PKMTDP1PDE5APDE1APDE1B
SCHEMBL30183619 0.89 SMN1; SMN2 (0.44) TDP1RXFP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20649264 0.89 SMN1; SMN2 (0.44) TDP1RXFP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20649287 0.87 LMNA (0.47) RAB9AALDH1A1NPC1CYP3A4KDM4E
SCHEMBL30183520 0.87 LMNA (0.47) RAB9AALDH1A1NPC1CYP3A4KDM4E
SCHEMBL20649075 0.86 LMNA (0.38) CCNA2CDK2
SCHEMBL30183558 0.86 LMNA (0.38) CCNA2CDK2
SCHEMBL20649181 0.86 CCNA2 (0.32) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL30183508 0.86 CCNA2 (0.32) CCNA2CDK2CDK4CCND3CDK6
SCHEMBL20649151 0.86 GSK3B (0.40) PKMTDP1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 — — CN disclosed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 — — US disclosed
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-09-14 — — US disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 — — US disclosed
US-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-04-30 — — US disclosed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 — — CN disclosed
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 — — 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 (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-20200131188-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS CHKA, CHKB, NADK PKM 176/4885TDP1 975/4885PDE5A 1131/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK PKM 168/4885TDP1 773/4885PDE5A 866/4885

“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.