SCHEMBL25258653

SCHEMBL25258653

N[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
USP30 Q70CQ3 1/20 0.46
DPP4 P27487 2/20 0.46
NPC1 O15118 6/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RHOA P61586 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL25258655 1.00 RAB9A (0.52) RAB9AUSP30DPP4NPC1MAPT
SCHEMBL25598124 0.83 RAB9A (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3754634 0.79 RAB9A (0.48) RAB9AUSP30NPC1MAPTMEN1
SCHEMBL13054087 0.79 RAB9A (0.48) RAB9AUSP30NPC1MAPTMEN1
SCHEMBL31349374 0.78 RAB9A (0.44) RAB9AUSP30NPC1MAPTMEN1
SCHEMBL31349363 0.78 RAB9A (0.44) RAB9AUSP30NPC1MAPTMEN1
SCHEMBL31349398 0.78 RAB9A (0.44) RAB9AUSP30NPC1MAPTMEN1
SCHEMBL2244923 0.77 POLB (0.53) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL25220131 0.76 ALDH1A1 (0.52) RAB9ADPP4NPC1MAPTMEN1
SCHEMBL25268541 0.76 ALDH1A1 (0.52) RAB9ADPP4NPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 RAB9A 3970/4885USP30 3181/4885DPP4 4650/4885

“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.