SCHEMBL17827690

SCHEMBL17827690

c1cnc(-c2cccc3ncccc23)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.49
MAP4K1 Q92918 1/20 0.43
ACVR1 Q04771 4/20 0.43
TGFBR1 P36897 2/20 0.43
PDE10A Q9Y233 1/20 0.42
KCNH2 Q12809 1/20 0.42
BMPR1B O00238 2/20 0.41
ACVRL1 P37023 2/20 0.41
KDR P35968 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR2 P37173 1/20 0.41
BMPR2 Q13873 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
METAP1 P53582 2/20 0.40

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
SCHEMBL17827685 0.87 RIPK3 (0.42) CHRM1PDE10AKDRLMNAMETAP1
SCHEMBL17827644 0.81 PIK3CD (0.49) MAP4K1ATRATRIP
SCHEMBL17827661 0.80 MAP4K1 (0.43) CHRM1MAP4K1PDE10AATRCHKA
SCHEMBL17827679 0.78 CHKA (0.47) CHRM1LMNACHKAADRB2NCF1
SCHEMBL17827694 0.77 ALDH1A1 (0.40) CHRM1ACVR1BMPR1BACVRL1BMPR1A
SCHEMBL17827695 0.76 PTPN11 (0.41) CHRM1ALDH1A1ATRCHKAADRB2
SCHEMBL17827710 0.76 CHKA (0.35) CHRM1LMNACHKAADRB2NCF1
SCHEMBL17827666 0.75 MAPT (0.47) KDM4ELMNANPSR1CHKAADRB2
SCHEMBL17827673 0.73 CHKA (0.41) CHKA
SCHEMBL17827698 0.73 DHFR (0.46) ALDH1A1LMNASMN1; SMN2NPSR1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 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 (2 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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CHRM1 3945/4885MAP4K1 2064/4885ACVR1 2425/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CHRM1 3945/4885MAP4K1 2064/4885ACVR1 2425/4885

“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.