SCHEMBL25624075

SCHEMBL25624075

CCn1cc(Cc2cc(Br)nn2-c2ccc(F)cc2C(C)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 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
SCHEMBL28998972 0.89 NTRK1 (0.34) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL30228388 0.89 NTRK1 (0.34) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25108645 0.89 NTRK1 (0.34) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL25109370 0.87 NTRK1 (0.34) NTRK1POLBMAPTMEN1KMT2A
SCHEMBL29541739 0.84 NPC1 (0.35) NPC1RAB9APOLBMAPTMEN1
SCHEMBL25624058 0.84 NPC1 (0.35) NPC1RAB9APOLBMAPTMEN1
SCHEMBL25624074 0.82 NPC1 (0.37) NPC1RAB9APOLBMAPTMEN1
SCHEMBL25108642 0.81 ALK (0.37) NTRK1POLB
SCHEMBL25107923 0.78 TRPV1 (0.36)
SCHEMBL25624939 0.78 ALK (0.32) POLB

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-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 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-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS NTRK1 3845/4885NPC1 273/4885RAB9A 3355/4885

“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.