SCHEMBL10329767

SCHEMBL10329767

CC(C)c1ccc(C(=O)N2CCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PLA2G1B P04054 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ HRH3 Q9Y5N1 6/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ PTK2 Q05397 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL12186155 0.97 KMT2A (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL26772953 0.95 HRH3 (0.53) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL24370438 0.88 TDP1 (0.48) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL20803928 0.87 SCN9A (0.48) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL19473337 0.87 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL13466364 0.82 PLA2G1B (0.45) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL16131138 0.81 LMNA (0.43) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL27398288 0.80 PLA2G1B (0.45) SMN1; SMN2KMT2AALDH1A1LMNAMEN1
SCHEMBL10329801 0.79 TDP1 (0.65) SMN1; SMN2ALDH1A1HRH3TDP1L3MBTL1
SCHEMBL13466373 0.79 PLA2G1B (0.47) SMN1; SMN2LMNAPLA2G1BATG4BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 — — US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
US-8222285-B2 1,3-dihydroxy substituted phenylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-8222285-B2 1,3-dihydroxy substituted phenylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-07-15 — — US disclosed
US-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-07-15 — — 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-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK SMN1; SMN2 4003/4885KMT2A 1096/4885ALDH1A1 4736/4885
US-20100179121-A1 1,3-DIHYDROXY SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS GCKR, GCK, NR4A3 SMN1; SMN2 3927/4885KMT2A 1805/4885ALDH1A1 2185/4885

“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.

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