SCHEMBL22601581

SCHEMBL22601581

CC(C)(C)c1ccc(-n2ccnc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2D6 P10635 4/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NOTUM Q6P988 1/20 0.47
ADH5 P11766 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP19A1 P11511 3/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
BAZ2B Q9UIF8 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL22601582 0.84 CYP3A4 (0.51) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL27924041 0.83 CYP3A4 (0.50) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL21653967 0.79 POLB (0.53) MAPTCYP1A2MEN1KMT2AHTT
SCHEMBL19667019 0.77 CYP3A4 (0.46) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL19296052 0.77 CYP3A4 (0.59) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL270275 0.75 MAPT (0.58) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL9924602 0.75 LOXL2 (0.37) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL12664234 0.74 CYP3A4 (0.50) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL31366255 0.74 POLB (0.61) CYP3A4CYP2A6CYP2D6LMNAMAPT
SCHEMBL1839540 0.74 LMNA (0.61) CYP3A4CYP2A6CYP2D6LMNAMAPT

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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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 (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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF CYP3A4 3328/4885CYP2A6 2849/4885CYP2D6 1275/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 CYP3A4 4655/4885CYP2A6 4826/4885CYP2D6 4497/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CYP3A4 3868/4885CYP2A6 4322/4885CYP2D6 4317/4885

“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.