SCHEMBL86442

SCHEMBL86442

CN1CCN(c2ccc3c(c2)N=C(/C=C(\O)c2cccnc2)N2CCN=C32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.37
DCAF15 Q66K64 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RPS6KA2 Q15349 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
HDAC1 Q13547 1/20 0.36
KHK P50053 1/20 0.35
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL86669 0.89 PLOD2 (0.43) RPS6KA3ALDH1A1RPS6KA2RPS6KA1HDAC1
SCHEMBL86436 0.87 MAPT (0.47) ALDH1A1DRD2KHKPOLBKMT2A
SCHEMBL86693 0.85 HDAC8 (0.40) ALDH1A1KMT2AHSD17B10GPR6
SCHEMBL86449 0.83 HDAC8 (0.40) ALDH1A1DRD2DRD1GPR6
SCHEMBL87137 0.83 HDAC8 (0.40) ALDH1A1DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL86773 0.82 PTAFR (0.40) ALDH1A1GPR6
SCHEMBL87141 0.82 PTAFR (0.42) HDAC1POLBGPR6
SCHEMBL15119587 0.82 GPR6 (0.37) ALDH1A1KMT2AGPR6
SCHEMBL86446 0.81 CCNC (0.36) HDAC1
SCHEMBL86841 0.81 PTAFR (0.44) KMT2ACYP1A2CYP3A4CYP2D6GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 RPS6KA3 535/4885DCAF15 2639/4885ALDH1A1 4300/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 RPS6KA3 643/4885DCAF15 3430/4885ALDH1A1 798/4885

“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.