SCHEMBL29964427

SCHEMBL29964427

CC(C)N1CCN(c2ccc(-c3cc(-c4cc5c(cc4F)C(=O)NCC5)c(N)nc3F)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
RET P07949 1/20 0.36
ACVR1 Q04771 2/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
MGLL Q99685 2/20 0.35
HDAC4 P56524 1/20 0.35
JAK2 O60674 1/20 0.35
MET P08581 2/20 0.35
TDO2 P48775 2/20 0.35
CDK4 P11802 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK6 Q00534 2/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL29964568 0.89 CCNT1 (0.43) RETMGLLJAK2TDO2CDK4
SCHEMBL29964599 0.88 ALK (0.38) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
Trifluoroacetic Acid SCHEMBL29964790 0.85 MGLL (0.38) ATMRETMGLLMETTDO2
SCHEMBL29964394 0.85 F12 (0.40) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31079384 0.83 ASIC3 (0.37) CDK4CCNA2CDK2CDK6
SCHEMBL31079182 0.82 MAPK1 (0.39) TLR9TLR8TLR7ACVR1BMPR1B
SCHEMBL31079336 0.81 MAPKAPK2 (0.37) CDK4CCNA2CDK2CDK6CCNT1
SCHEMBL29964052 0.81 MAPKAPK2 (0.33) CDK4CCNA2CDK2CDK6CCNT1
SCHEMBL29964459 0.80 ALK (0.37) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29964723 0.80 ALK (0.37) ACVR1BMPR1BBMPR1ATGFBR1ACVRL1

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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 ATM 607/4885TLR9 4748/4885TLR8 4558/4885

“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.