SCHEMBL29614516

SCHEMBL29614516

Nc1nccn2c(C3CCCNC3)nc(I)c12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.45
FGFR2 P21802 1/20 0.45
IGF1R P08069 2/20 0.43
FGFR1 P11362 3/20 0.43

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
SCHEMBL24251951 0.93 TNK2 (0.49) TNK2FGFR2IGF1RFGFR1
SCHEMBL26820365 0.93 TNK2 (0.49) TNK2FGFR2IGF1RFGFR1
Hydrochloric Acid SCHEMBL26661660 0.91 TNK2 (0.48) TNK2FGFR2IGF1RFGFR1
SCHEMBL398874 0.86 FGFR2 (0.57) TNK2FGFR2IGF1RFGFR1
SCHEMBL14637195 0.85 FGFR2 (0.45) TNK2FGFR2IGF1RFGFR1
SCHEMBL14637193 0.85 FGFR2 (0.45) TNK2FGFR2IGF1RFGFR1
SCHEMBL1129345 0.85 TNK2 (0.56) TNK2FGFR2IGF1RFGFR1
SCHEMBL21852337 0.83 IGF1R (0.49) TNK2FGFR2IGF1R
SCHEMBL4316054 0.78 TNK2 (0.48) TNK2FGFR2IGF1RFGFR1
SCHEMBL17894991 0.78 TNK2 (0.49) TNK2FGFR2IGF1RFGFR1

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-11512085-B2 Heteroaryl compound having drug activity SHANGHAI DUDE MEDICAL TECHNOLOGY CO., LTD (CN) 2022-11-29 US disclosed
EP-3643716-B1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY SHANGHAI DUDE MEDICAL TECH CO LTD (CN) 2022-05-04 EP 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-11512085-B2 Heteroaryl compound having drug activity BTK, LYN, LCK TNK2 261/4885FGFR2 2198/4885IGF1R 751/4885

“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.