SCHEMBL29980249

SCHEMBL29980249

CC(C)n1cc(-c2cccc(N)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.45
KDR P35968 2/20 0.45
CYP19A1 P11511 1/20 0.44
LRRK2 Q5S007 5/20 0.43
EPHB4 P54760 1/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MECP2 P51608 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT5 O14744 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL27088365 1.00 TEK (0.45) TEKKDRCYP19A1LRRK2EPHB4
SCHEMBL19697583 0.83 CA2 (0.48) TEKKDRCYP19A1EPHB4TSHR
SCHEMBL22050888 0.81 CHRNB2 (0.46) CYP19A1LRRK2KDM4EMEN1MAPT
SCHEMBL21286181 0.81 KDR (0.45) TEKKDRCYP19A1EPHB4TSHR
SCHEMBL25820297 0.81 CYP19A1 (0.51) CYP19A1LRRK2
SCHEMBL19449446 0.80 CHRNB2 (0.51) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL9963176 0.80 CYP19A1 (0.66) KDRCYP19A1EPHB4TSHRNPC1
SCHEMBL29979963 0.79 TEK (0.48) TEKKDREPHB4TSHRRECQL
SCHEMBL13886476 0.79 TEK (0.48) TEKKDREPHB4TSHRRECQL
SCHEMBL23026391 0.78 CYP19A1 (0.52) KDRCYP19A1EPHB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2024-10-03 US disclosed
EP-4320109-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER Tolremo Therapeutics AG (CH) 2024-02-14 EP disclosed
CN-117355512-A Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer 托雷莫治疗股份公司 2024-01-05 CN disclosed
WO-2022214606-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2022-10-13 WO 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-20240327394-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 TEK 3011/4885KDR 4443/4885CYP19A1 144/4885

“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.