SCHEMBL4176044

SCHEMBL4176044

CN1CCN(c2ccc(C(C#N)C(C#N)c3ccc(Br)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2C P18825 1/20 0.45
GFER P55789 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
PPARD Q03181 2/20 0.42
IGF1R P08069 3/20 0.41
ESRRB O95718 2/20 0.41
ESRRG P62508 2/20 0.41
APP P05067 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHEK1 O14757 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
MAPK1 P28482 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
SCHEMBL19402 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL24596933 0.75 CHKA (0.62) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL4174461 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL27945382 0.72 AKR1C3 (0.57) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL31252540 0.72 AKR1C3 (0.57) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL101926 0.71 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL2371731 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL20639598 0.70 IGF1R (0.54) ALDH1A1KDM4EMAPTIGF1RESRRB
SCHEMBL20639653 0.70 KDM4E (0.67) KDM4ECHEK1
SCHEMBL151261 0.70 CHEK1 (0.68) ALDH1A1KMT2AKDM4EGAAMAPT

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-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 ALDH1A1 578/4885KMT2A 3248/4885KDM4E 2164/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885KMT2A 1110/4885KDM4E 1049/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885KMT2A 1110/4885KDM4E 1049/4885

“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.