SCHEMBL666445

SCHEMBL666445

CNC(=O)c1cccc2cncnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PSMD14 O00487 1/20 0.43
STAMBP O95630 1/20 0.43
COPS5 Q92905 1/20 0.43
PIM1 P11309 4/20 0.42
PIM2 Q9P1W9 4/20 0.42
BAD Q92934 3/20 0.42
PARP1 P09874 2/20 0.42
HPGDS O60760 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
MTNR1A P48039 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28179640 0.81 PKN1 (0.46) PKN1PKN2PSMD14PARP1TRPV1
SCHEMBL30013145 0.81 PKN1 (0.46) PKN1PKN2PSMD14PARP1TRPV1
SCHEMBL31187611 0.80 ALDH1A1 (0.47) PARP1TRPV1
SCHEMBL666372 0.80 ALDH1A1 (0.47) PARP1TRPV1
SCHEMBL27949789 0.79 PARP1 (0.40) PKN1PKN2PARP1TRPV1
SCHEMBL8402853 0.79 NPC1 (0.64) PLK1PKN1PKN2NPC1CASP3
SCHEMBL29558330 0.79 PARP1 (0.62) PKN1PKN2PARP1FLT3PTK2
Hydrochloric Acid SCHEMBL11618161 0.79 ALDH1A1 (0.46) PARP1TRPV1
SCHEMBL528715 0.79 PARP1 (0.62) PKN1PKN2PARP1FLT3PTK2
SCHEMBL29829237 0.78 PKN1 (0.46) PKN1PKN2PARP1TRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114786771-A Quinazoline derivatives as inhibitors of LPA receptor 2 奇斯药制品公司 2022-07-22 CN claimed
CN-107223126-A Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2017-09-29 CN disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 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-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC PLK1 3614/4885PKN1 2936/4885PKN2 3052/4885

“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.