SCHEMBL12293256

SCHEMBL12293256

CC(C)(C)c1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 7/20 0.45
HTR2A P28223 1/20 0.42
JAK2 O60674 1/20 0.41
CHEK1 O14757 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
LMNA P02545 1/20 0.39
NOS1 P29475 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CHUK O15111 1/20 0.37
MCHR1 Q99705 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL10220162 0.86 GSK3B (0.44) FADS1CHEK1LMNANOS1GPR84
SCHEMBL19134506 0.83 FADS1 (0.41) FADS1HTR2AJAK2CHEK1SIRT1
SCHEMBL11725013 0.82 FADS1 (0.45) FADS1HTR2AJAK2CHEK1NOS1
SCHEMBL12303177 0.80 MAP2K4 (0.50) FADS1CHEK1HPGD
SCHEMBL21018486 0.80 KIF11 (0.47) JAK2CHEK1CHUK
SCHEMBL13208499 0.79 PDPK1 (0.58) FADS1HTR2AJAK2CHEK1LMNA
SCHEMBL10220232 0.79 ITK (0.43) FADS1HTR2ACHUKGPR84
SCHEMBL13145737 0.78 PARP1 (0.44) CHEK1LMNA
SCHEMBL10220250 0.76 MAP2K4 (0.54) FADS1CHUK
SCHEMBL18848181 0.76 ALDH1A1 (0.50) FADS1HTR2AHPGDCHUKGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263818-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-08-29 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9796713-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-24 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-11 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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 (4 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-20170129892-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 FADS1 2328/4885HTR2A 164/4885JAK2 4225/4885
US-20190263818-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 FADS1 1772/4885HTR2A 3554/4885JAK2 2194/4885
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 FADS1 2179/4885HTR2A 152/4885JAK2 4139/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B FADS1 767/4885HTR2A 3698/4885JAK2 4748/4885

“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.