SCHEMBL31247573

SCHEMBL31247573

Cc1ccnc(Nc2cc(N)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
NOS2 P35228 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
KARS1 Q15046 5/20 0.50
KDR P35968 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
IGF1R P08069 1/20 0.47
LTK P29376 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL2912518 0.84 KDR (0.57) KDM4ENOS2MEN1KMT2ANOS3
SCHEMBL31247411 0.81 NPC1 (0.50) KDM4ENOS2MEN1KMT2ANOS3
SCHEMBL27606961 0.79 GSK3A (0.48) KDM4ENOS2MEN1KMT2ANOS3
SCHEMBL29919700 0.79 SCN9A (0.53) KDRCDK5CDK1CCNB1CCNA2
SCHEMBL28936140 0.79 SCN9A (0.53) KDRCDK5CDK1CCNB1CCNA2
SCHEMBL13064955 0.76 CDK5 (0.61) MEN1KMT2ACDK5CLK4CDK1
SCHEMBL8798667 0.76 EGFR (0.61) KDM4ECDK5ABL1CDK1CCNB1
SCHEMBL28038987 0.74 HSP90AA1 (0.54) KDRCDK5FYNGSK3ACDK9
SCHEMBL5750559 0.74 KDR (0.56) KDM4ENOS2MEN1KMT2AKARS1
SCHEMBL29406785 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 EP disclosed
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ATOMWISE INC (US) 2026-02-19 US disclosed
US-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 US disclosed
US-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 US disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 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 (4 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-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 KDM4E 302/4885NOS2 3388/4885MEN1 2677/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 KDM4E 642/4885NOS2 1750/4885MEN1 4264/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 KDM4E 302/4885NOS2 3388/4885MEN1 2677/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 KDM4E 302/4885NOS2 3388/4885MEN1 2677/4885

“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.