SCHEMBL9937962

SCHEMBL9937962

CC(=O)c1cc(N2CCNCC2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.54
PRKDC P78527 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR6 P50406 3/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL11025214 0.84 ADRB1 (0.50) ADRB1PRKDCALDH1A1USP2TSHR
SCHEMBL9937590 0.83 PRKDC (0.54) PRKDCKDM4EALDH1A1TSHRHTR3A
SCHEMBL15801109 0.81 PRKDC (0.78) PRKDCKDM4EALDH1A1TP53MAPT
SCHEMBL4433812 0.80 ACVR1 (0.50) ADRB1PRKDCALDH1A1USP2TSHR
SCHEMBL4939443 0.80 ADRB1 (0.61) ADRB1PRKDCALDH1A1USP2TSHR
SCHEMBL13182828 0.78 ADRB1 (0.56) ADRB1KDM4EALDH1A1HTR3EHTR3B
SCHEMBL8257139 0.78 ABCB1 (0.54) ADRB1PRKDCHTR3EHTR3BHTR3A
SCHEMBL29138207 0.77 ADRB1 (0.61) ADRB1ALDH1A1USP2TSHRHSD17B10
SCHEMBL1600023 0.77 ADRB1 (0.71) ADRB1KDM4EALDH1A1HTR3EHTR3B
SCHEMBL14747891 0.77 ADRB1 (0.71) ADRB1KDM4EALDH1A1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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 (1 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 ADRB1 2098/4885PRKDC 57/4885KDM4E 1097/4885

“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.