SCHEMBL17557698

SCHEMBL17557698

CC(C)(C)Oc1ncnc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
MAPT P10636 1/20 0.43
NCOA1 Q15788 3/20 0.43
NCOA3 Q9Y6Q9 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALK Q9UM73 1/20 0.42
EGFR P00533 1/20 0.42
HPGD P15428 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
SCHEMBL17562164 0.82 MAPT (0.47) HTTLMNASMN1; SMN2ALDH1A1IRAK4
SCHEMBL934529 0.81 ALDH1A1 (0.53) HTTLMNASMN1; SMN2ALDH1A1CCNC
Hydrochloric Acid SCHEMBL28139424 0.80 ALDH1A1 (0.52) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL3865271 0.79 HTT (0.56) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL17562167 0.78 FYN (0.38) ALDH1A1MAPTEGFRPIK3CD
SCHEMBL3334702 0.77 HTT (0.56) HTTLMNASMN1; SMN2ALDH1A1CCNC
SCHEMBL2614348 0.76 RAB9A (0.51) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL3333850 0.76 MAP4K4 (0.56) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL17562169 0.76 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL18895128 0.75 HTT (0.54) HTTLMNASMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 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-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 HTT 2370/4885LMNA 3492/4885SMN1; SMN2 3115/4885

“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.