SCHEMBL21884271

SCHEMBL21884271

Cc1cn[nH]c1C(C)(C)I

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL14347785 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHTTPTK2
SCHEMBL21160937 0.71 GAA (0.40) ALDH1A1
SCHEMBL21719731 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6762227 0.64 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL21719457 0.60 ALDH1A1 (0.47) ALDH1A1
SCHEMBL22876742 0.60 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL20734527 0.60 ALDH1A1 (0.47) ALDH1A1
SCHEMBL22911355 0.60
SCHEMBL21211958 0.60
SCHEMBL22125849 0.60

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-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias Terns, Inc. (US) 2021-01-12 US disclosed
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-19 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-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR ALDH1A1 1027/4885CYP3A4 4049/4885CYP2D6 3994/4885
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias ABL1, ABL2, BCR ALDH1A1 497/4885CYP3A4 1098/4885CYP2D6 2089/4885

“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.