Sugi Predict

Sugi Predict / Compounds / SCHEMBL86866

SCHEMBL86866

SCHEMBL86866

COc1cccc2c1N=C(NC(=O)c1cnccc1C(F)(F)F)N1CCN=C21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ DGAT2 Q96PD7 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ GPR183 P32249 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ RBP4 P02753 1/20 0.36
▸ GPBAR1 Q8TDU6 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL83347 0.82 MAPT (0.50) MAPTPOLBALDH1A1
SCHEMBL86828 0.80 KMT2A (0.40) MAPTPOLBNPC1JAK2ALDH1A1
SCHEMBL87050 0.79 GAA (0.43) MAPTPOLBNPC1JAK2ALDH1A1
SCHEMBL19328643 0.77 PTAFR (0.37) MAPTPOLBCYP1A2
SCHEMBL29475025 0.77 CCNC (0.39) MAPTPOLBNPC1CYP1A2
SCHEMBL82489 0.77 CCNC (0.39) MAPTPOLBNPC1CYP1A2
SCHEMBL86945 0.77 ALDH1A1 (0.45) MAPTPOLBNPC1ALDH1A1TP53
SCHEMBL86875 0.74 PTAFR (0.46) MAPTPOLBNPC1ALDH1A1TP53
SCHEMBL83685 0.71 MAPT (0.46) MAPTPOLBCYP1A2ALDH1A1
SCHEMBL86615 0.71 TYK2 (0.38) MAPTPOLB

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 9 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

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 MAPT 2333/4885DGAT2 3338/4885ADRB2 403/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAPT 3803/4885DGAT2 4355/4885ADRB2 1077/4885

“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.