SCHEMBL9977893

SCHEMBL9977893

Fc1ccc(-c2cn[nH]c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
MAPK1 P28482 1/20 0.42
PIM1 P11309 3/20 0.42
CHEK1 O14757 5/20 0.41
CHEK2 O96017 2/20 0.41
ROCK2 O75116 2/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
FEN1 P39748 1/20 0.40
MAPK8 P45983 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TGFBR1 P36897 1/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDPK1 O15530 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL30737880 1.00 AKT1 (0.48) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL29689263 0.82 AKT2 (0.54) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL104535 0.79 AKT2 (0.61) AKT1AKT2ROCK2PDPK1
SCHEMBL30582723 0.77 AKT2 (0.48) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL15327018 0.77 AKT1 (0.48) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL26131947 0.77 AKT2 (0.48) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL14896650 0.77 CHEK1 (0.52) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL16131991 0.77 CCR1 (0.56) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL3255522 0.77 NPBWR1 (0.48) AKT1AKT2MAPK1PIM1CHEK1
SCHEMBL29638874 0.75 AKT2 (0.56) AKT1AKT2MAPK1PIM1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862860-B1 1,3-OXAZOLIDINE OR 1,3-OXAZINANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO LTD (JP) 2016-12-21 EP disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
EP-2862855-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP disclosed
EP-2862860-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP disclosed
WO-2013187466-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE 大正製薬株式会社 (JP) 2013-12-19 WO disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20150166523-A1 BRANCHED CHAIN ALKYL HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTR2B AKT1 2252/4885AKT2 2451/4885MAPK1 1524/4885
US-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R AKT1 2563/4885AKT2 2764/4885MAPK1 1104/4885
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE HCRTR2, HCRTR1, HTR2B AKT1 1123/4885AKT2 1430/4885MAPK1 1274/4885

“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.