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SCHEMBL20649059

SCHEMBL20649059

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)c21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.48
▸ HPGD P15428 2/20 0.46
▸ ATR Q13535 7/20 0.45
▸ PRKDC P78527 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL30183995 1.00 FLT3 (0.48) FLT3HPGDATRPRKDCHTT
SCHEMBL30183993 0.93 FLT3 (0.51) FLT3HPGDATRPRKDCCCNA2
SCHEMBL20649379 0.93 FLT3 (0.51) FLT3HPGDATRPRKDCCCNA2
SCHEMBL20649115 0.93 ATR (0.49) FLT3HPGDATRCCNA2CDK2
SCHEMBL30183153 0.93 ATR (0.49) FLT3HPGDATRCCNA2CDK2
SCHEMBL20649119 0.92 FLT3 (0.42) FLT3HPGDATRPRKDCCCNA2
SCHEMBL30183517 0.92 FLT3 (0.49) FLT3HPGDATRHTTCCNA2
SCHEMBL20649281 0.92 FLT3 (0.49) FLT3HPGDATRHTTCCNA2
SCHEMBL30183663 0.92 FLT3 (0.42) FLT3HPGDATRPRKDCCCNA2
SCHEMBL20649288 0.92 ATR (0.49) FLT3HPGDATRPRKDCCCNA2

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 FLT3 654/4885HPGD 608/4885ATR 599/4885
US-11117901-B2 Substituted pyrazolo[4,3-h]quinazolines as choline kinase inhibitors CHKA, CHKB, NADK FLT3 747/4885HPGD 603/4885ATR 621/4885

“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.