SCHEMBL29901540

SCHEMBL29901540

Cn1nc(F)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DDB1 Q16531 5/20 0.41
CRBN Q96SW2 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GLS O94925 1/20 0.38
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
CCR4 P51679 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK13 O15264 1/20 0.36

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
SCHEMBL19986782 1.00 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL3532632 0.76 GPR3 (0.36) GPR3KDM4EGLSATMALDH1A1
SCHEMBL147947 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL30506312 0.76 GLS (0.56) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL14077457 0.75 MEN1 (0.42) KDM4EATMALDH1A1MAPK1HSD17B10
SCHEMBL823488 0.74 GSK3B (0.45) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL29461124 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL21379983 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL31172010 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B
SCHEMBL5565026 0.74 GPR3 (0.44) GPR3KDM4EHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312353-B2 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2025-05-27 US disclosed
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SHENZHEN YUANLI SHENWAN INNOVATIVE MEDICINE CO LTD (CN) 2025-04-17 US disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US disclosed
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2023-01-05 US disclosed
US-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2022-08-23 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 (5 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-12312353-B2 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 GPR3 3516/4885KDM4E 769/4885HTR2A 2195/4885
US-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 GPR3 3516/4885KDM4E 769/4885HTR2A 2195/4885
US-20250122174-A1 Heteroaryl Compounds As HPK1 Inhibitors And Methods Of Using Same SGK1, HYPK, PCK1 GPR3 2345/4885KDM4E 2636/4885HTR2A 3182/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 GPR3 4794/4885KDM4E 872/4885HTR2A 4483/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 GPR3 3516/4885KDM4E 769/4885HTR2A 2195/4885

“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.