SCHEMBL24828655

SCHEMBL24828655

CCn1cc(Cc2nn(CC)nc2-c2ccc(F)cc2[C@@H](C)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.41
PDK2 Q15119 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 3/20 0.32
NTRK3 Q16288 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LRRK2 Q5S007 1/20 0.31
NAMPT P43490 1/20 0.31
ROCK2 O75116 3/20 0.30
ROCK1 Q13464 2/20 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
SCHEMBL25123571 0.90 NTRK1 (0.39) NTRK1PDK2POLBMAPTMEN1
SCHEMBL25123543 0.90 NTRK1 (0.39) NTRK1PDK2POLBMAPTMEN1
SCHEMBL29341575 0.82 NTRK1 (0.38) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25107960 0.81 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25109676 0.80 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25109273 0.80 NTRK1 (0.35) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25108628 0.79 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25107929 0.79 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL31709014 0.79 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL30228348 0.79 NTRK1 (0.36) NTRK1POLBMAPTMEN1KMT2A

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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 US disclosed
US-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-01-03 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-11542278-B1 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, CYP3A43 NTRK1 4065/4885PDK2 652/4885POLB 2029/4885

“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.