SCHEMBL12381

SCHEMBL12381

C[C@H]1CCCN(c2ccncc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.57
RECQL P46063 1/20 0.54
RXFP1 Q9HBX9 1/20 0.44
JAK3 P52333 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
PRKDC P78527 1/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MAP4K4 O95819 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL12432 1.00 CHKA (0.57) CHKARECQLRXFP1JAK3KDM4E
SCHEMBL15014502 1.00 CHKA (0.57) CHKARECQLRXFP1JAK3KDM4E
SCHEMBL6667369 0.89 CHKA (0.50) CHKARECQLJAK3HTTADRB2
SCHEMBL23515065 0.83 RXFP1 (0.46) RECQLRXFP1JAK3KDM4EHTT
SCHEMBL10662242 0.81 MAPT (0.52) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL12919 0.81 MAPT (0.52) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL13056 0.81 MAPT (0.52) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL21241770 0.81 CHRNB2 (0.55) KDM4EMAPTNPC1RAB9A
SCHEMBL26326846 0.80 MAPT (0.49) RXFP1JAK3KDM4EHTTPRKDC
SCHEMBL26326854 0.80 MAPT (0.49) RXFP1JAK3KDM4EHTTPRKDC

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-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CHKA 128/4885RECQL 2771/4885RXFP1 4371/4885

“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.