SCHEMBL457248

SCHEMBL457248

Cc1cc(B(O)O)ccc1C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
TAS1R2 Q8TE23 3/20 0.49
HPGD P15428 3/20 0.46
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 2/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL15550053 0.82 HPGD (0.52) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL4043511 0.82 HPGD (0.64) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL29953310 0.82 HPGD (0.52) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL178430 0.81 TAS1R3 (0.66) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL15341542 0.80 NPC1 (0.54) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL457266 0.79 NEU3 (0.39) HPGDSMN1; SMN2
SCHEMBL29955977 0.79 HPGD (0.55) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL15940756 0.79 HPGD (0.55) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL455691 0.78 RAB9A (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL3233932 0.78 NPC1 (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US claimed
EP-3189055-A1 A PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-07-12 EP claimed
WO-2016034507-A1 A PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-10 WO claimed
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 EP disclosed
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 EP disclosed
EP-3189055-A1 A PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-07-12 EP disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 US disclosed
US-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-14 US disclosed
EP-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012136531-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 WO disclosed
WO-2012136531-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 WO disclosed
WO-2012130905-A1 SUBSTITUTED BENZIMIDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 WO disclosed
WO-2012130905-A1 SUBSTITUTED BENZIMIDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 WO disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 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-20130303532-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS TK1, CDKL1, CDK1 NPC1 2059/4885RAB9A 3903/4885TAS1R3 2536/4885
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES TTBK1, TTK, TTBK2 NPC1 2377/4885RAB9A 2878/4885TAS1R3 3183/4885

“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.