SCHEMBL984182

SCHEMBL984182

N[C@H]1CC[C@@H](NC(=O)c2c[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.41
BTK Q06187 3/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SYK P43405 3/20 0.35
PBK Q96KB5 1/20 0.35
CRHR1 P34998 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K4 O95819 1/20 0.34
CNR1 P21554 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
SCHEMBL981859 1.00 SMYD3 (0.41) SMYD3BTKALDH1A1KMT2AHPGD
SCHEMBL985596 0.94 SMYD3 (0.41) SMYD3BTKALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL985170 0.94 SMYD3 (0.40) SMYD3BTKALDH1A1KMT2AHPGD
SCHEMBL985350 0.92 CDK9 (0.41) BTKALDH1A1KMT2AHPGDKDM5A
SCHEMBL986391 0.92 CDK9 (0.41) BTKALDH1A1KMT2AHPGDKDM5A
SCHEMBL984894 0.91 GRIN1 (0.36) ALDH1A1KMT2AHPGDKDM5AKDM4C
SCHEMBL985885 0.91 GRIN1 (0.36) ALDH1A1KMT2AHPGDKDM5AKDM4C
SCHEMBL984646 0.91 ACKR3 (0.41) ALDH1A1KMT2AKDM1AKDM5AKDM4C
SCHEMBL984599 0.91 BTK (0.39) SMYD3BTKKDM1APBK
Hydrochloric Acid SCHEMBL986113 0.90 ACKR3 (0.41) ALDH1A1KMT2AKDM1AKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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 (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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A SMYD3 1287/4885BTK 1977/4885ALDH1A1 924/4885

“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.