SCHEMBL30268652

SCHEMBL30268652

Nc1nc(N)c2c(ccc3ccc(Cl)cc32)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.55
DHFR P00374 9/20 0.48
HSP90AB1 P08238 1/20 0.48
PIK3CG P48736 1/20 0.47
SLC2A1 P11166 2/20 0.46
MAP4K4 O95819 1/20 0.45
DCPS Q96C86 2/20 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
SCHEMBL3335843 0.82 HSP90AB1 (0.57) HSP90AB1PIK3CGMAP4K4DCPS
SCHEMBL28899984 0.71 HSP90AB1 (0.54) HSP90AB1PIK3CGMAP4K4
SCHEMBL25367735 0.71 F2R (0.56) DHFRSLC2A1
SCHEMBL30588930 0.71 F2R (0.56) DHFRSLC2A1
SCHEMBL8388586 0.71 CDK9 (0.45) DHFRPIK3CGSLC2A1DCPS
SCHEMBL6652422 0.71 TYMS (1.00) TYMS
SCHEMBL1611666 0.71 SLC2A1 (0.51) DHFRSLC2A1DCPS
SCHEMBL9054022 0.69 HSP90AA1 (0.53) DHFRHSP90AB1SLC2A1DCPS
SCHEMBL4351919 0.69 DHFR (0.58) DHFRHSP90AB1MAP4K4
SCHEMBL8389944 0.69 SLC2A1 (0.44) DHFRSLC2A1MAP4K4DCPS

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
WO-2025122580-A1 METHOD OF TREATING CHRONIC PAIN USING INHIBITOR OF NEUROPILIN-1 (NRP1) AND G ALPHA INTERACTING PROTEIN (GAIP) INTERACTING PROTEIN C-TERMINUS 1 (GIPC1) NEW YORK UNIVERSITY (US) 2025-06-12 WO disclosed
EP-2914621-B1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF FOUND MEDICINE INC (US) 2023-06-07 EP disclosed
US-11578372-B2 NTRK1 fusion molecules and uses thereof FOUNDATION MEDICINE, INC. (US) 2023-02-14 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-11578372-B2 NTRK1 fusion molecules and uses thereof NTRK1, NTRK3, NTRK2 TYMS 1945/4885DHFR 3460/4885HSP90AB1 1816/4885

“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.