SCHEMBL7797849

SCHEMBL7797849

COc1cc2nc(N3CCN(C(=O)C4(C)CCCCC4)CC3)nc(N)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.63
ADRA1B P35368 4/20 0.63
ADRA2A P08913 3/20 0.63
ADRA2B P18089 3/20 0.63
ADRA2C P18825 3/20 0.63
ADRA1D P25100 3/20 0.63
KCNH2 Q12809 3/20 0.63
DRD3 P35462 1/20 0.63
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
GLA P06280 4/20 0.60
HSD17B10 Q99714 4/20 0.60
MAPK1 P28482 3/20 0.60
GAA P10253 3/20 0.60
TP53 P04637 2/20 0.60
SLC22A1 O15245 2/20 0.60
ABCC4 O15439 2/20 0.60
LMNA P02545 2/20 0.60
DRD1 P21728 2/20 0.60

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
SCHEMBL7794600 0.99 ADRA1A (0.64) ADRA1AADRA1BADRA2AADRA2BADRA2C
SCHEMBL11091036 0.85 ADRA1A (0.63) ADRA1AADRA1B
SCHEMBL11087216 0.85 ADRA1A (0.63) ADRA1AADRA1B
SCHEMBL11080069 0.84 ADRA1A (0.64) ADRA1AADRA1B
Hydrochloric Acid SCHEMBL11084847 0.83 ADRA1A (0.61) ADRA1AADRA1BKDM4EGLAGAA
SCHEMBL14369110 0.82 ADRA1A (0.70) ADRA1AADRA1BADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11085370 0.82 ADRA1A (0.62) ADRA1AADRA1BKDM4EGLAGAA
SCHEMBL11082909 0.82 ADRA1A (0.64) ADRA1AADRA1B
SCHEMBL11081283 0.81 ADRA1A (0.66) ADRA1AADRA1B
SCHEMBL11240874 0.81 ADRA1D (0.60) ADRA1AADRA1BADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4060615-A ANTIHYPERTENSIVE, PHOSPHODIESTERASE INHIBITOR MEAD JOHNSON & COMPANY (US) 1977-11-29 US claimed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-4060615-A ANTIHYPERTENSIVE, PHOSPHODIESTERASE INHIBITOR MEAD JOHNSON & COMPANY (US) 1977-11-29 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 ADRA1A 3531/4885ADRA1B 3799/4885ADRA2A 3507/4885

“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.