SCHEMBL10279697

SCHEMBL10279697

Cc1ccccc1C(=O)NC1(C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.48
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
CTSB P07858 2/20 0.43
P2RX7 Q99572 1/20 0.43
POLB P06746 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL30848550 0.81 FAAH (0.56) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL397839 0.77 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11727231 0.76 CTSL (0.52) CTSLCTSSCTSKCTSB
SCHEMBL23611745 0.75 NPC1 (0.46) CTSLHPGDNPC1RAB9ACTSS
SCHEMBL18163227 0.74 P2RX7 (0.45) CTSLRAB9ACTSSCTSKSMN1; SMN2
SCHEMBL16454214 0.74 LRRK2 (0.41) CTSLCTSSCTSKCTSB
SCHEMBL10279699 0.73 NPC1 (0.48) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL13193074 0.73 HPGD (0.47) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL3787010 0.73 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11654047 0.73 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2GAA

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 16 patents. 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 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-9512126-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-06 US disclosed
US-9512126-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-06 US disclosed
EP-2825540-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-09-14 EP disclosed
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 disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2694500-B1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF Bayer Pharma AG (DE) 2015-05-27 EP disclosed
US-20150104526-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-16 US disclosed
US-20150104526-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-16 US disclosed
US-20140255392-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140255392-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO disclosed
WO-2012136531-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 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 (3 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-20140255392-A1 SUBSTITUTED IMIDAZOPYRIDINES AND INTERMEDIATES THEREOF FLT4, KDR, VEGFA CTSL 3652/4885HPGD 166/4885NPC1 2593/4885
US-20170305912-A1 PROCESS FOR THE PREPARATION OF 3-PHENYL/HETEROARYL-6-PHENOXY-8-ALKYLAMINO-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES TTBK1, TTK, TTBK2 CTSL 2048/4885HPGD 4762/4885NPC1 2377/4885
US-20150104526-A1 SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, CCND2, FLT4 CTSL 3501/4885HPGD 141/4885NPC1 3247/4885

“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.