SCHEMBL397515

SCHEMBL397515

C[C@H](c1nncc2cc(NC(=O)c3ccccc3)ccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
JAK2 O60674 1/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
PLAU P00749 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDR P35968 1/20 0.42
P2RX1 P51575 1/20 0.41
KCNK3 O14649 2/20 0.41
HTT P42858 2/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ACE2 Q9BYF1 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
SCHEMBL397201 1.00 NPC1 (0.45) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL393448 0.82 KIT (0.52) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL4576496 0.82 KIT (0.52) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL4576518 0.82 KIT (0.52) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL4575832 0.79 KDR (0.49) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL398064 0.78 NPC1 (0.46) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL437501 0.74 CDK2 (0.43) KDR
SCHEMBL4232115 0.71 NPC1 (0.61) NPC1RAB9AJAK2MAPTKMT2A
SCHEMBL397200 0.71 ALOX5AP (0.45) KDR
SCHEMBL397514 0.71 ALOX5AP (0.45) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 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 (1 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 NPC1 4272/4885RAB9A 3386/4885JAK2 35/4885

“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.